tris(2-bromo-1-[4-(dimethylamino)phenyl]ethanone);tris(N,N-dimethylmethanamine);4-(6-iodoimidazo[1,2-a]pyrazin-2-yl)-N,N-dimethylaniline;4-(6-iodoimidazo[1,2-a]pyrimidin-2-yl)-N,N-dimethylaniline;4-(6-iodoimidazo[1,2-b]pyridazin-2-yl)-N,N-dimethylaniline;6-iodo-2-phenylimidazo[1,2-a]pyrazine;6-iodo-2-phenylimidazo[1,2-a]pyrimidine;6-iodo-2-phenylimidazo[1,2-b]pyridazine;5-iodopyrazin-2-amine;6-iodopyridazin-3-amine;5-iodopyrimidin-2-amine

C129H138Br3I9N36O3 — CID 157435021

About tris(2-bromo-1-[4-(dimethylamino)phenyl]ethanone);tris(N,N-dimethylmethanamine);4-(6-iodoimidazo[1,2-a]pyrazin-2-yl)-N,N-dimethylaniline;4-(6-iodoimidazo[1,2-a]pyrimidin-2-yl)-N,N-dimethylaniline;4-(6-iodoimidazo[1,2-b]pyridazin-2-yl)-N,N-dimethylaniline;6-iodo-2-phenylimidazo[1,2-a]pyrazine;6-iodo-2-phenylimidazo[1,2-a]pyrimidine;6-iodo-2-phenylimidazo[1,2-b]pyridazine;5-iodopyrazin-2-amine;6-iodopyridazin-3-amine;5-iodopyrimidin-2-amine

tris(2-bromo-1-[4-(dimethylamino)phenyl]ethanone);tris(N,N-dimethylmethanamine);4-(6-iodoimidazo[1,2-a]pyrazin-2-yl)-N,N-dimethylaniline;4-(6-iodoimidazo[1,2-a]pyrimidin-2-yl)-N,N-dimethylaniline;4-(6-iodoimidazo[1,2-b]pyridazin-2-yl)-N,N-dimethylaniline;6-iodo-2-phenylimidazo[1,2-a]pyrazine;6-iodo-2-phenylimidazo[1,2-a]pyrimidine;6-iodo-2-phenylimidazo[1,2-b]pyridazine;5-iodopyrazin-2-amine;6-iodopyridazin-3-amine;5-iodopyrimidin-2-amine (PubChem CID 157435021) has the molecular formula C129H138Br3I9N36O3 and a molecular weight of 3622.62 g/mol. Its IUPAC name is tris(2-bromo-1-[4-(dimethylamino)phenyl]ethanone);tris(N,N-dimethylmethanamine);4-(6-iodoimidazo[1,2-a]pyrazin-2-yl)-N,N-dimethylaniline;4-(6-iodoimidazo[1,2-a]pyrimidin-2-yl)-N,N-dimethylaniline;4-(6-iodoimidazo[1,2-b]pyridazin-2-yl)-N,N-dimethylaniline;6-iodo-2-phenylimidazo[1,2-a]pyrazine;6-iodo-2-phenylimidazo[1,2-a]pyrimidine;6-iodo-2-phenylimidazo[1,2-b]pyridazine;5-iodopyrazin-2-amine;6-iodopyridazin-3-amine;5-iodopyrimidin-2-amine.

Molecular Properties

• Compound Name: tris(2-bromo-1-[4-(dimethylamino)phenyl]ethanone);tris(N,N-dimethylmethanamine);4-(6-iodoimidazo[1,2-a]pyrazin-2-yl)-N,N-dimethylaniline;4-(6-iodoimidazo[1,2-a]pyrimidin-2-yl)-N,N-dimethylaniline;4-(6-iodoimidazo[1,2-b]pyridazin-2-yl)-N,N-dimethylaniline;6-iodo-2-phenylimidazo[1,2-a]pyrazine;6-iodo-2-phenylimidazo[1,2-a]pyrimidine;6-iodo-2-phenylimidazo[1,2-b]pyridazine;5-iodopyrazin-2-amine;6-iodopyridazin-3-amine;5-iodopyrimidin-2-amine
• PubChem CID: 157435021
• Molecular Formula: C129H138Br3I9N36O3
• Molecular Weight: 3622.62 g/mol
• Exact Mass: 3618.07
• IUPAC Name: tris(2-bromo-1-[4-(dimethylamino)phenyl]ethanone);tris(N,N-dimethylmethanamine);4-(6-iodoimidazo[1,2-a]pyrazin-2-yl)-N,N-dimethylaniline;4-(6-iodoimidazo[1,2-a]pyrimidin-2-yl)-N,N-dimethylaniline;4-(6-iodoimidazo[1,2-b]pyridazin-2-yl)-N,N-dimethylaniline;6-iodo-2-phenylimidazo[1,2-a]pyrazine;6-iodo-2-phenylimidazo[1,2-a]pyrimidine;6-iodo-2-phenylimidazo[1,2-b]pyridazine;5-iodopyrazin-2-amine;6-iodopyridazin-3-amine;5-iodopyrimidin-2-amine
• SMILES: CN(C)C.CN(C)C.CN(C)C.CN(C)c1ccc(-c2cn3cc(I)cnc3n2)cc1.CN(C)c1ccc(-c2cn3cc(I)ncc3n2)cc1.CN(C)c1ccc(-c2cn3nc(I)ccc3n2)cc1.CN(C)c1ccc(C(=O)CBr)cc1.CN(C)c1ccc(C(=O)CBr)cc1.CN(C)c1ccc(C(=O)CBr)cc1.Ic1ccc2nc(-c3ccccc3)cn2n1.Ic1cn2cc(-c3ccccc3)nc2cn1.Ic1cnc2nc(-c3ccccc3)cn2c1.Nc1ccc(I)nn1.Nc1cnc(I)cn1.Nc1ncc(I)cn1
• InChI: InChI=1S/3C14H13IN4.3C12H8IN3.3C10H12BrNO.3C4H4IN3.3C3H9N/c1-18(2)12-5-3-10(4-6-12)13-9-19-8-11(15)7-16-14(19)17-13;1-18(2)11-5-3-10(4-6-11)12-8-19-9-13(15)16-7-14(19)17-12;1-18(2)11-5-3-10(4-6-11)12-9-19-14(16-12)8-7-13(15)17-19;13-11-8-16-7-10(15-12(16)6-14-11)9-4-2-1-3-5-9;13-10-6-14-12-15-11(8-16(12)7-10)9-4-2-1-3-5-9;13-11-6-7-12-14-10(8-16(12)15-11)9-4-2-1-3-5-9;3*1-12(2)9-5-3-8(4-6-9)10(13)7-11;5-3-1-8-4(6)2-7-3;5-3-1-7-4(6)8-2-3;5-3-1-2-4(6)8-7-3;3*1-4(2)3/h3*3-9H,1-2H3;3*1-8H;3*3-6H,7H2,1-2H3;1-2H,(H2,6,8);1-2H,(H2,6,7,8);1-2H,(H2,6,8);3*1-3H3
• InChIKey: BQZMVVSURCZTHL-UHFFFAOYSA-N
• XLogP: 27.72
• TPSA: 416.91 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 39
• Rotatable Bonds: 18
• Heavy Atoms: 180
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3622.62
LogP ≤ 5	27.72
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	39

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of tris(2-bromo-1-[4-(dimethylamino)phenyl]ethanone);tris(N,N-dimethylmethanamine);4-(6-iodoimidazo[1,2-a]pyrazin-2-yl)-N,N-dimethylaniline;4-(6-iodoimidazo[1,2-a]pyrimidin-2-yl)-N,N-dimethylaniline;4-(6-iodoimidazo[1,2-b]pyridazin-2-yl)-N,N-dimethylaniline;6-iodo-2-phenylimidazo[1,2-a]pyrazine;6-iodo-2-phenylimidazo[1,2-a]pyrimidine;6-iodo-2-phenylimidazo[1,2-b]pyridazine;5-iodopyrazin-2-amine;6-iodopyridazin-3-amine;5-iodopyrimidin-2-amine?

The IUPAC name of tris(2-bromo-1-[4-(dimethylamino)phenyl]ethanone);tris(N,N-dimethylmethanamine);4-(6-iodoimidazo[1,2-a]pyrazin-2-yl)-N,N-dimethylaniline;4-(6-iodoimidazo[1,2-a]pyrimidin-2-yl)-N,N-dimethylaniline;4-(6-iodoimidazo[1,2-b]pyridazin-2-yl)-N,N-dimethylaniline;6-iodo-2-phenylimidazo[1,2-a]pyrazine;6-iodo-2-phenylimidazo[1,2-a]pyrimidine;6-iodo-2-phenylimidazo[1,2-b]pyridazine;5-iodopyrazin-2-amine;6-iodopyridazin-3-amine;5-iodopyrimidin-2-amine (CID 157435021) is tris(2-bromo-1-[4-(dimethylamino)phenyl]ethanone);tris(N,N-dimethylmethanamine);4-(6-iodoimidazo[1,2-a]pyrazin-2-yl)-N,N-dimethylaniline;4-(6-iodoimidazo[1,2-a]pyrimidin-2-yl)-N,N-dimethylaniline;4-(6-iodoimidazo[1,2-b]pyridazin-2-yl)-N,N-dimethylaniline;6-iodo-2-phenylimidazo[1,2-a]pyrazine;6-iodo-2-phenylimidazo[1,2-a]pyrimidine;6-iodo-2-phenylimidazo[1,2-b]pyridazine;5-iodopyrazin-2-amine;6-iodopyridazin-3-amine;5-iodopyrimidin-2-amine.

What is the SMILES notation for tris(2-bromo-1-[4-(dimethylamino)phenyl]ethanone);tris(N,N-dimethylmethanamine);4-(6-iodoimidazo[1,2-a]pyrazin-2-yl)-N,N-dimethylaniline;4-(6-iodoimidazo[1,2-a]pyrimidin-2-yl)-N,N-dimethylaniline;4-(6-iodoimidazo[1,2-b]pyridazin-2-yl)-N,N-dimethylaniline;6-iodo-2-phenylimidazo[1,2-a]pyrazine;6-iodo-2-phenylimidazo[1,2-a]pyrimidine;6-iodo-2-phenylimidazo[1,2-b]pyridazine;5-iodopyrazin-2-amine;6-iodopyridazin-3-amine;5-iodopyrimidin-2-amine?

The canonical SMILES for tris(2-bromo-1-[4-(dimethylamino)phenyl]ethanone);tris(N,N-dimethylmethanamine);4-(6-iodoimidazo[1,2-a]pyrazin-2-yl)-N,N-dimethylaniline;4-(6-iodoimidazo[1,2-a]pyrimidin-2-yl)-N,N-dimethylaniline;4-(6-iodoimidazo[1,2-b]pyridazin-2-yl)-N,N-dimethylaniline;6-iodo-2-phenylimidazo[1,2-a]pyrazine;6-iodo-2-phenylimidazo[1,2-a]pyrimidine;6-iodo-2-phenylimidazo[1,2-b]pyridazine;5-iodopyrazin-2-amine;6-iodopyridazin-3-amine;5-iodopyrimidin-2-amine is CN(C)C.CN(C)C.CN(C)C.CN(C)c1ccc(-c2cn3cc(I)cnc3n2)cc1.CN(C)c1ccc(-c2cn3cc(I)ncc3n2)cc1.CN(C)c1ccc(-c2cn3nc(I)ccc3n2)cc1.CN(C)c1ccc(C(=O)CBr)cc1.CN(C)c1ccc(C(=O)CBr)cc1.CN(C)c1ccc(C(=O)CBr)cc1.Ic1ccc2nc(-c3ccccc3)cn2n1.Ic1cn2cc(-c3ccccc3)nc2cn1.Ic1cnc2nc(-c3ccccc3)cn2c1.Nc1ccc(I)nn1.Nc1cnc(I)cn1.Nc1ncc(I)cn1.

What is the InChIKey of tris(2-bromo-1-[4-(dimethylamino)phenyl]ethanone);tris(N,N-dimethylmethanamine);4-(6-iodoimidazo[1,2-a]pyrazin-2-yl)-N,N-dimethylaniline;4-(6-iodoimidazo[1,2-a]pyrimidin-2-yl)-N,N-dimethylaniline;4-(6-iodoimidazo[1,2-b]pyridazin-2-yl)-N,N-dimethylaniline;6-iodo-2-phenylimidazo[1,2-a]pyrazine;6-iodo-2-phenylimidazo[1,2-a]pyrimidine;6-iodo-2-phenylimidazo[1,2-b]pyridazine;5-iodopyrazin-2-amine;6-iodopyridazin-3-amine;5-iodopyrimidin-2-amine?

The InChIKey is BQZMVVSURCZTHL-UHFFFAOYSA-N. The full InChI is InChI=1S/3C14H13IN4.3C12H8IN3.3C10H12BrNO.3C4H4IN3.3C3H9N/c1-18(2)12-5-3-10(4-6-12)13-9-19-8-11(15)7-16-14(19)17-13;1-18(2)11-5-3-10(4-6-11)12-8-19-9-13(15)16-7-14(19)17-12;1-18(2)11-5-3-10(4-6-11)12-9-19-14(16-12)8-7-13(15)17-19;13-11-8-16-7-10(15-12(16)6-14-11)9-4-2-1-3-5-9;13-10-6-14-12-15-11(8-16(12)7-10)9-4-2-1-3-5-9;13-11-6-7-12-14-10(8-16(12)15-11)9-4-2-1-3-5-9;3*1-12(2)9-5-3-8(4-6-9)10(13)7-11;5-3-1-8-4(6)2-7-3;5-3-1-7-4(6)8-2-3;5-3-1-2-4(6)8-7-3;3*1-4(2)3/h3*3-9H,1-2H3;3*1-8H;3*3-6H,7H2,1-2H3;1-2H,(H2,6,8);1-2H,(H2,6,7,8);1-2H,(H2,6,8);3*1-3H3.

What are the key properties of tris(2-bromo-1-[4-(dimethylamino)phenyl]ethanone);tris(N,N-dimethylmethanamine);4-(6-iodoimidazo[1,2-a]pyrazin-2-yl)-N,N-dimethylaniline;4-(6-iodoimidazo[1,2-a]pyrimidin-2-yl)-N,N-dimethylaniline;4-(6-iodoimidazo[1,2-b]pyridazin-2-yl)-N,N-dimethylaniline;6-iodo-2-phenylimidazo[1,2-a]pyrazine;6-iodo-2-phenylimidazo[1,2-a]pyrimidine;6-iodo-2-phenylimidazo[1,2-b]pyridazine;5-iodopyrazin-2-amine;6-iodopyridazin-3-amine;5-iodopyrimidin-2-amine?

tris(2-bromo-1-[4-(dimethylamino)phenyl]ethanone);tris(N,N-dimethylmethanamine);4-(6-iodoimidazo[1,2-a]pyrazin-2-yl)-N,N-dimethylaniline;4-(6-iodoimidazo[1,2-a]pyrimidin-2-yl)-N,N-dimethylaniline;4-(6-iodoimidazo[1,2-b]pyridazin-2-yl)-N,N-dimethylaniline;6-iodo-2-phenylimidazo[1,2-a]pyrazine;6-iodo-2-phenylimidazo[1,2-a]pyrimidine;6-iodo-2-phenylimidazo[1,2-b]pyridazine;5-iodopyrazin-2-amine;6-iodopyridazin-3-amine;5-iodopyrimidin-2-amine has a molecular weight of 3622.62 g/mol, XLogP of 27.72, 18 rotatable bonds, 3 hydrogen bond donors, and 39 hydrogen bond acceptors.

Where does this data come from?

All data for tris(2-bromo-1-[4-(dimethylamino)phenyl]ethanone);tris(N,N-dimethylmethanamine);4-(6-iodoimidazo[1,2-a]pyrazin-2-yl)-N,N-dimethylaniline;4-(6-iodoimidazo[1,2-a]pyrimidin-2-yl)-N,N-dimethylaniline;4-(6-iodoimidazo[1,2-b]pyridazin-2-yl)-N,N-dimethylaniline;6-iodo-2-phenylimidazo[1,2-a]pyrazine;6-iodo-2-phenylimidazo[1,2-a]pyrimidine;6-iodo-2-phenylimidazo[1,2-b]pyridazine;5-iodopyrazin-2-amine;6-iodopyridazin-3-amine;5-iodopyrimidin-2-amine is sourced from PubChem (CID 157435021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).